2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C22H30N2O4S — CID 43906315

IUPAC2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-14(2)24-29(26,27)20-9-7-19(8-10-20)28-13-22(25)23-18(6)21-12-16(4)15(3)11-17(21)5/h7-12,14,18,24H,13H2,1-6H3,(H,23,25)
InChIKeyPGZCMGKJCALONB-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.55
Rot. Bonds8

About 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906315) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906315
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-14(2)24-29(26,27)20-9-7-19(8-10-20)28-13-22(25)23-18(6)21-12-16(4)15(3)11-17(21)5/h7-12,14,18,24H,13H2,1-6H3,(H,23,25)
InChIKeyPGZCMGKJCALONB-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401927
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906341
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906343
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906383
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906315) is 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C.
What is the InChIKey of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is PGZCMGKJCALONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-14(2)24-29(26,27)20-9-7-19(8-10-20)28-13-22(25)23-18(6)21-12-16(4)15(3)11-17(21)5/h7-12,14,18,24H,13H2,1-6H3,(H,23,25).
What are the key properties of 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).